Bioactive Compound Details

BioIDbio2107
NameRIVANICLINE
ChEMBL IDCHEMBL132966
Molecular FormulaC10H14N2
Molecular Weight162.24
Molecular Weight (Monoisotopic)162.1157
TypeSmall molecule
Max PhasePhase 2
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
Synonyms(E)-METANICOTINE|RIVANICLINA|RIVANICLINE|TC-2403|TRANS-METANICOTINE
SmilesCNCC/C=C/c1cccnc1
InchiInChI=1S/C10H14N2/c1-11-7-3-2-5-10-6-4-8-12-9-10/h2,4-6,8-9,11H,3,7H2,1H3/b5-2+
Inchi KeyJUOSGGQXEBBCJB-GORDUTHDSA-N
Molecular SpeciesBASE
Targets12.0
Bioactivities23.0
Np Likeness Score0.27
Records Key['3', 'RIVANICLINE', '10, TC-2403', 'TC-2403', 'Metanicotine', '15', 'RJR 2403 OXALATE', 'SID26752048', 'RJR 2403 oxalate', 'Metanicotine', 'RJR 2403 oxalate', 'RJR 2403 oxalate']
Records Name['Methyl-((E)-4-pyridin-3-yl-but-3-enyl)-amine', 'RIVANICLINE', 'metanicotine', 'N-methyl-4-(pyridin-3-yl)but-3-en-1-amine', 'Metanicotine', 'Methyl-((E)-4-pyridin-3-yl-but-3-enyl)-amine', 'RJR 2403 OXALATE', 'SID26752048', 'RJR 2403 oxalate', 'Metanicotine', 'RJR 2403 oxalate', 'RJR 2403 oxalate']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure